4-[[5-[[4-[(2-Carboxy-4-Sulphophenyl)Amino]-6-Chloro-1,3,5-Triazin-2-Yl]Amino]-2-Sulphophenyl]Azo]-4,5-Dihydro-5-Oxo-1-(4-Sulphophenyl)-1H-Pyrazole-3-Carboxylic Acid
[CAS# 62223-58-9]

Identification

• Name: 4-[[5-[[4-[(2-Carboxy-4-Sulphophenyl)Amino]-6-Chloro-1,3,5-Triazin-2-Yl]Amino]-2-Sulphophenyl]Azo]-4,5-Dihydro-5-Oxo-1-(4-Sulphophenyl)-1H-Pyrazole-3-Carboxylic Acid
• Synonyms: 4-[5-[[4-[(2-Carboxy-4-Sulfo-Phenyl)Amino]-6-Chloro-1,3,5-Triazin-2-Yl]Amino]-2-Sulfo-Phenyl]Azo-5-Oxo-1-(4-Sulfophenyl)-4H-Pyrazole-3-Carboxylic Acid; 4-[5-[[4-[(2-Carboxy-4-Sulfophenyl)Amino]-6-Chloro-1,3,5-Triazin-2-Yl]Amino]-2-Sulfophenyl]Azo-5-Oxo-1-(4-Sulfophenyl)-4H-Pyrazole-3-Carboxylic Acid; 4-[5-[[4-[(2-Carboxy-4-Sulfo-Phenyl)Amino]-6-Chloro-S-Triazin-2-Yl]Amino]-2-Sulfo-Phenyl]Azo-5-Keto-1-(4-Sulfophenyl)-4H-Pyrazole-3-Carboxylic Acid
• Molecular Formula: C₂₆H₁₈ClN₉O₁₄S₃
• Molecular Weight: 812.11
• CAS Registry Number: 62223-58-9
• EINECS: 263-466-6
• SMILES: C5=C(N4N=C(C(N=NC1=CC(=CC=C1[S](=O)(=O)O)NC2=NC(=NC(=N2)Cl)NC3=CC=C([S](=O)(=O)O)C=C3C(=O)O)C4=O)C(=O)O)C=CC(=C5)[S](=O)(=O)O
• InChI: 1S/C26H18ClN9O14S3/c27-24-30-25(32-26(31-24)29-16-7-6-14(52(45,46)47)10-15(16)22(38)39)28-11-1-8-18(53(48,49)50)17(9-11)33-34-19-20(23(40)41)35-36(21(19)37)12-2-4-13(5-3-12)51(42,43)44/h1-10,19H,(H,38,39)(H,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H2,28,29,30,31,32)
• InChIKey: OEXWFTBEVWOXEJ-UHFFFAOYSA-N

Properties

• Density: 2.011g/cm³ (Cal.)